Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(CCC1)Cc4ccc(n2nc(c3c2CCOC3)C(F)(F)F)cc4 |
SMILES_CANONICAL | CACTVS | 3.352 | FC(F)(F)c1nn(c2CCOCc12)c3ccc(CN4CCCC4=O)cc3 |
SMILES | CACTVS | 3.352 | FC(F)(F)c1nn(c2CCOCc12)c3ccc(CN4CCCC4=O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4 |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-11-26-9-7-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2 |
InChIKey | InChI | 1.03 | URIDIEFPWLZYEF-UHFFFAOYSA-N |